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(NH3CH3)Al(SO4)2*12H2O |
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Abdeen A M, Will G, Schaefer W, Kirfel A, Bargouth M O, Recker K, Weiss A |
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Zeitschrift fur Kristallographie 157 (1981) 147-166 |
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X-ray and neutron diffraction study of alums |
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II. The crystal structure of methylammonium aluminium alum |
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III. The crystal structure of ammonium aluminium alum |
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Sample: X-ray data |
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_database_code_amcsd 0010842 |
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12.322 12.322 12.322 90 90 90 Pa3 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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N .5137 .5137 .5137 .5 3.4 .0056 .0056 .0056 .0004 -.0004 -.0004 |
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C .4504 .4504 .4504 .5 6.6 .0109 .0109 .0109 -.0040 -.0040 -.0040 |
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Al 0 0 0 2.3 .0037 .0037 .0037 0 0 0 |
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S .3020 .302 .302 2.8 .0046 .0046 .0046 .0012 .0012 .0012 |
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Os1 .2324 .2324 .2324 6.6 .0108 .0108 .0108 -.0008 -.0008 -.0008 |
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Os2 .6932 .7523 .0917 5.5 .0065 .0132 .0075 -.0042 .0018 -.0065 |
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Wat1 .8497 .9803 .0197 2.6 .0036 .0051 .0043 -.0002 .0004 .0007 |
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Wat2 .0420 .1351 .2965 3.6 .0064 .0057 .0057 -.0001 -.0007 -.0004 |
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Tschermigite |
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Abdeen A M, Will G, Schaefer W, Kirfel A, Bargouth M O, Recker K, Weiss A |
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Zeitschrift fur Kristallographie 157 (1981) 147-166 |
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X-ray and neutron diffraction study of alums |
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II. The crystal structure of methylammonium aluminium alum |
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III. The crystal structure of ammonium aluminium alum |
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Locality: synthetic |
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Sample: X-ray data |
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_database_code_amcsd 0010843 |
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12.242 12.242 12.242 90 90 90 Pa3 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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N .5082 .5082 .5082 .5 2.88 .0048 .0048 .0048 .0003 .0003 .0003 |
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Al 0 0 0 1.68 .0027 .0027 .0027 0 0 0 |
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S .3083 .3083 .3083 2.04 .0034 .0034 .0034 .0006 .0006 .0006 |
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Os1 .2401 .2401 .2401 .831 4.68 .0078 .0078 .0078 -.0021 -.0021 -.0021 |
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Os2 .3130 .2652 .4199 .831 3.68 .0055 .0084 .0045 .0030 .0012 .0033 |
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Os1' .3709 .3709 .3709 .169 8.93 .0149 .0149 .0149 -.0062 -.0062 -.0062 |
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Os2' .2098 .3701 .2889 .169 8.41 .0100 .0218 .0103 .0142 .0053 .0134 |
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Wat1 .0171 -.0162 .1520 2.24 .0047 .0038 .0027 .0001 -.0003 .0001 |
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Wat2 .0454 .1377 .2979 3.22 .0059 .0047 .0055 .0005 -.0011 -.0009 |
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Tl3Fe2S4 |
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Welz D, Deppe P, Schaefer W, Sabrowsky H, Rosenberg M |
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Journal of Physics and Chemistry of Solids 50 (1989) 297-308 |
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Magnetism of iron-sulfur tetrahedral frameworks in compounds with thallium |
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I. Chain structures |
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_database_code_amcsd 0013235 |
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7.38 10.73 11.14 90 90 90 Pnma |
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atom x y z |
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Tl1 .410 .25 .276 |
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Tl2 .452 .077 .635 |
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Fe .461 .124 .966 |
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S1 .119 .25 .668 |
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S2 .240 .25 .022 |
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S3 .143 .053 .377 |
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Raguinite |
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Welz D, Deppe P, Schaefer W, Sabrowsky H, Rosenberg M |
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Journal of Physics and Chemistry of Solids 50 (1989) 297-308 |
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Magnetism of iron-sulfur tetrahedral frameworks in compounds with thallium |
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I. Chain structures |
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Locality: synthetic |
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_database_code_amcsd 0013236 |
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11.68 5.32 10.53 90 144.60 90 C2/m |
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atom x y z |
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Tl .034 0 .359 |
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Fe 0 .254 0 |
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S1 .259 0 .299 |
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S2 .416 0 .092 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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